2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-ethylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-ethylphenyl)sulfonylamino]benzoic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-ethylphenyl)sulfonylamino]benzoic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-5-[(4-ethylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-ethylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-5-[(4-ethylphenyl)sulfonylamino]benzoic acid Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CCC#N)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CCC#N)C(=O)O

InChI

InChI=1S/C22H26N4O4S/c1-2-17-4-7-19(8-5-17)31(29,30)24-18-6-9-21(20(16-18)22(27)28)26-14-12-25(13-15-26)11-3-10-23/h4-9,16,24H,2-3,11-15H2,1H3,(H,27,28)